Reaction Details Report a problem with these data
Target
Cytochrome P450 1B1
Ligand
BDBM50084978
Substrate
n/a
Meas. Tech.
ChEMBL_459098 (CHEMBL926266)
IC50
6±n/a nM
Citation
 Bruno, RD; Njar, VC Targeting cytochrome P450 enzymes: a new approach in anti-cancer drug development. Bioorg Med Chem 15:5047-60 (2007) [PubMed]  Article 
Target
Name:
Cytochrome P450 1B1
Synonyms:
CP1B1_HUMAN | CYP1B1 | CYPIB1 | Cytochrome P450 1B1 (CYP1B1)
Type:
PROTEIN
Mol. Mass.:
60861.81
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1474523
Residue:
543
Sequence:
MGTSLSPNDPWPLNPLSIQQTTLLLLLSVLATVHVGQRLLRQRRRQLRSAPPGPFAWPLIGNAAAVGQAAHLSFARLARRYGDVFQIRLGSCPIVVLNGERAIHQALVQQGSAFADRPAFASFRVVSGGRSMAFGHYSEHWKVQRRAAHSMMRNFFTRQPRSRQVLEGHVLSEARELVALLVRGSADGAFLDPRPLTVVAVANVMSAVCFGCRYSHDDPEFRELLSHNEEFGRTVGAGSLVDVMPWLQYFPNPVRTVFREFEQLNRNFSNFILDKFLRHCESLRPGAAPRDMMDAFILSAEKKAAGDSHGGGARLDLENVPATITDIFGASQDTLSTALQWLLLLFTRYPDVQTRVQAELDQVVGRDRLPCMGDQPNLPYVLAFLYEAMRFSSFVPVTIPHATTANTSVLGYHIPKDTVVFVNQWSVNHDPLKWPNPENFDPARFLDKDGLINKDLTSRVMIFSVGKRRCIGEELSKMQLFLFISILAHQCDFRANPNEPAKMNFSYGLTIKPKSFKVNVTLRESMELLDSAVQNLQAKETCQ
  
Inhibitor
Name:
BDBM50084978
Synonyms:
3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one | CHEMBL40919 | Kaempferide | Kaempferol 4'-methyl ether
Type:
Small organic molecule
Emp. Form.:
C16H12O6
Mol. Mass.:
300.2629
SMILES:
COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Structure:
Search PDB for entries with ligand similarity: